2-[2-(3-methyl-4-nitro-phenoxy)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(3-methyl-4-nitro-phenoxy)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(3-methyl-4-nitro-phenoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(3-methyl-4-nitrophenoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(3-methyl-4-nitrophenoxy)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(3-methyl-4-nitro-phenoxy)ethyl]-1,2-benzothiazol-3-one Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6S/c1-11-10-12(6-7-14(11)18(20)21)24-9-8-17-16(19)13-4-2-3-5-15(13)25(17,22)23/h2-7,10H,8-9H2,1H3